SCHEMBL9742808

SCHEMBL9742808

O=C(O)C1Cc2c1ccc1c2CCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
ALDH1A1 P00352 4/20 0.35
RXRA P19793 5/20 0.35
RXRB P28702 5/20 0.35
RXRG P48443 5/20 0.35
CXCR5 P32302 2/20 0.35
METAP2 P50579 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9744479 0.77 NR1D1 (0.48) ALDH1A1RXRAKDM4EMEN1LMNA
SCHEMBL8065941 0.71 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL1278375 0.69 BCL2L1 (0.52) BCL2L1BADCYP19A1
SCHEMBL4250760 0.69 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL19116376 0.69 BCL2L1 (0.39) BCL2L1BADMEN1KMT2A
SCHEMBL1721640 0.69 ALDH1A1 (0.38) ALDH1A1MEN1LMNAKMT2A
SCHEMBL22375238 0.69 BCL2L1 (0.39) BCL2L1BAD
SCHEMBL1721952 0.68 TRPM5 (0.44) ALDH1A1
SCHEMBL9465746 0.68 ALDH1A1 (0.44) ALDH1A1POLB
SCHEMBL1721723 0.68 ALDH1A1 (0.47) ALDH1A1KDM4EPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 US disclosed